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Update README.md
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@janssenhenning
janssenhenning committed May 3, 2023
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Expand Up @@ -20,7 +20,7 @@ Developed at [Forschungszentrum Jülich GmbH](http://www.fz-juelich.de/pgi/pgi-1

| FLEUR Plugin | AiiDA CORE | Python | FLEUR/XML file version |
|-|-|-|-|
| `v2.0.0 < v3.0.0` | ![Compatibility for v2.0][AiiDA v2.0] | [![PyPI pyversions](https://img.shields.io/badge/python-3.8_\|_3.9_\|_3.10-blue)](https://pypi.org/project/aiida-fleur.svg) |![Fleur Compatibility][Fleur v2.0]/`<=0.36` |
| `v2.0.0 < v3.0.0` | ![Compatibility for v2.0][AiiDA v2.0] | [![PyPI pyversions](https://img.shields.io/badge/python-3.8_\|_3.9_\|_3.10-blue)](https://pypi.org/project/aiida-fleur.svg) |![Fleur Compatibility][Fleur v2.0]/`<=0.37` |
| `v1.2.0 < v2.0.0` | ![Compatibility for v1.2][AiiDA v1.2] | [![PyPI pyversions](https://img.shields.io/pypi/pyversions/aiida-fleur.svg)](https://pypi.org/project/aiida-fleur) | ![Fleur Compatibility][Fleur v1.2]/`<=0.35` |
| `v1.0.0 < v1.2.0` | ![Compatibility for v1.0][AiiDA v1.0] | [![PyPI pyversions](https://img.shields.io/badge/python-3.6_\|_3.7_\|_3.8_\|_3.9-blue)](https://pypi.org/project/aiida-fleur/1.2.0) | ![Fleur Compatibility][Fleur v1.0]/`<=0.33` |
| `< v0.6.3` | ![Compatibility for v0.6.3][AiiDA v0.6.3] | [![PyPI pyversions](https://img.shields.io/badge/python-2.7-blue)](https://pypi.python.org/pypi/aiida-fleur/0.6.3/) | ![Fleur Compatibility][Fleur v0.6.3]/`<=0.31` |
Expand Down Expand Up @@ -229,7 +229,7 @@ For this work essential is AiiDA, which itself is supported by the [MARVEL Natio
<img src="docs/source/images/MAX-orizz.png" alt="MaX" width="200"/>
<img src="docs/source/images/Logo-JLVMD.png" alt="JLVMD" width="200"/>

[Fleur v2.0]: https://img.shields.io/badge/->=MaX--1,<=MaX--6.1-darkblue?logoWidth=30&labelColor=white&logo=data:image/png;base64,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
[Fleur v2.0]: https://img.shields.io/badge/->=MaX--1,<=MaX--6.2-darkblue?logoWidth=30&labelColor=white&logo=data:image/png;base64,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

[Fleur v1.2]: https://img.shields.io/badge/->=MaX--1,<=MaX--6-darkblue?logoWidth=30&labelColor=white&logo=data:image/png;base64,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